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  1. EXP-T EXP-T Public

    The EXP-T program package is designed for high-precision modeling of molecular electronic structure using the relativistic Fock space multireference coupled cluster method (FS-RCC). EXP-T is writte…

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  2. minichem minichem Public

    A very simple quantum chemistry program

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  3. libgrpp libgrpp Public

    A library for the evaluation of molecular integrals of the generalized relativistic pseudopotential operator over Gaussian functions

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  4. pyqchem pyqchem Public

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  5. utils utils Public

    Utilities for ab initio quantum chemistry calculations

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  6. wick wick Public

    Automated generation of expressions for matrix elements of arbitrary n-particle operators in the basis of Slater determinants

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